CID 431935

2-phenylthieno[2,3-b]quinolin-3-ol 1,1-dioxide

Structural Information

Molecular Formula
C17H11NO3S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC4=CC=CC=C4N=C3S2(=O)=O)O
InChI
InChI=1S/C17H11NO3S/c19-15-13-10-12-8-4-5-9-14(12)18-17(13)22(20,21)16(15)11-6-2-1-3-7-11/h1-10,19H
InChIKey
SOSCJDTZADMNKQ-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-phenylthieno[2,3-b]quinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.04596 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05324 167.5
[M+Na]+ 332.03518 180.5
[M-H]- 308.03868 175.1
[M+NH4]+ 327.07978 187.1
[M+K]+ 348.00912 174.1
[M+H-H2O]+ 292.04322 160.9
[M+HCOO]- 354.04416 184.6
[M+CH3COO]- 368.05981 180.5
[M+Na-2H]- 330.02063 173.1
[M]+ 309.04541 172.3
[M]- 309.04651 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.